CID 5284632

Trospium

Structural Information

Molecular Formula
C25H30NO3
SMILES
C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23?
InChIKey
OYYDSUSKLWTMMQ-AIZNXBIQSA-N
Compound name
[(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

266
References

9818
Patents

392.22256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22984 199.3
[M+Na]+ 415.21178 200.2
[M-H]- 391.21528 207.1
[M+NH4]+ 410.25638 213.8
[M+K]+ 431.18572 189.3
[M+H-H2O]+ 375.21982 192.7
[M+HCOO]- 437.22076 210.0
[M+CH3COO]- 451.23641 207.8
[M+Na-2H]- 413.19723 200.3
[M]+ 392.22201 191.3
[M]- 392.22311 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.